(5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

C11H12F3NO — CID 175502082

IUPAC(5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c1[C@H](C(F)C(F)F)CCC2
InChIInChI=1S/C11H12F3NO/c12-10(11(13)14)6-2-1-3-7-9(6)8(16)4-5-15-7/h4-6,10-11H,1-3H2,(H,15,16)/t6-,10?/m1/s1
InChIKeyXPUYWROEDIGZAI-ZMMDDIOLSA-N
MW231.22 g/mol
LogP2.40
Rot. Bonds2

About (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

(5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 175502082) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID175502082
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c1[C@H](C(F)C(F)F)CCC2
InChIInChI=1S/C11H12F3NO/c12-10(11(13)14)6-2-1-3-7-9(6)8(16)4-5-15-7/h4-6,10-11H,1-3H2,(H,15,16)/t6-,10?/m1/s1
InChIKeyXPUYWROEDIGZAI-ZMMDDIOLSA-N
XLogP2.40
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 175502082) is (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is O=c1cc[nH]c2c1[C@H](C(F)C(F)F)CCC2.
What is the InChIKey of (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is XPUYWROEDIGZAI-ZMMDDIOLSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-10(11(13)14)6-2-1-3-7-9(6)8(16)4-5-15-7/h4-6,10-11H,1-3H2,(H,15,16)/t6-,10?/m1/s1.
What are the key properties of (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
(5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 231.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 175502082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).